SCHEMBL16995248

SCHEMBL16995248

NC1(c2ccc(-c3nc4c(cnc5ccnn54)nc3-c3ccccc3)cc2)CC(O)(O)C1

nearest known ligand 0.45

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 20/20 0.45
AKT2 P31751 18/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL239670 0.92 AKT1 (0.49) AKT1AKT2
SCHEMBL239669 0.92 AKT1 (0.49) AKT1AKT2
SCHEMBL2755381 0.92 AKT1 (0.49) AKT1AKT2
SCHEMBL238939 0.92 AKT1 (0.49) AKT1AKT2
SCHEMBL238940 0.92 AKT1 (0.49) AKT1AKT2
SCHEMBL2755152 0.92 AKT1 (0.49) AKT1AKT2
SCHEMBL234344 0.89 AKT1 (0.51) AKT1AKT2
SCHEMBL234345 0.89 AKT1 (0.51) AKT1AKT2
SCHEMBL2755223 0.78 AKT1 (0.49) AKT1AKT2
SCHEMBL239573 0.78 AKT1 (0.49) AKT1AKT2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2406250-B1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME (US) 2015-08-12 EP disclosed